N-[(2S)-2-hydroxypropyl]-2-phenylsulfanylacetamide

C11H15NO2S — CID 83029625

IUPACN-[(2S)-2-hydroxypropyl]-2-phenylsulfanylacetamide
SMILESC[C@H](O)CNC(=O)CSc1ccccc1
InChIInChI=1S/C11H15NO2S/c1-9(13)7-12-11(14)8-15-10-5-3-2-4-6-10/h2-6,9,13H,7-8H2,1H3,(H,12,14)/t9-/m0/s1
InChIKeyQAESLJCSTXSNQM-VIFPVBQESA-N
MW225.31 g/mol
LogP1.28
Rot. Bonds5

About N-[(2S)-2-hydroxypropyl]-2-phenylsulfanylacetamide

N-[(2S)-2-hydroxypropyl]-2-phenylsulfanylacetamide (PubChem CID 83029625) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is N-[(2S)-2-hydroxypropyl]-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxypropyl]-2-phenylsulfanylacetamide
PubChem CID83029625
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC NameN-[(2S)-2-hydroxypropyl]-2-phenylsulfanylacetamide
SMILESC[C@H](O)CNC(=O)CSc1ccccc1
InChIInChI=1S/C11H15NO2S/c1-9(13)7-12-11(14)8-15-10-5-3-2-4-6-10/h2-6,9,13H,7-8H2,1H3,(H,12,14)/t9-/m0/s1
InChIKeyQAESLJCSTXSNQM-VIFPVBQESA-N
XLogP1.28
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminopropyl)-2-phenylsulfanylacetamide
CID 63731692
2-(4-chlorophenyl)sulfanyl-N-(2-hydroxypropyl)acetamide
CID 43391209
N-[2-methyl-3-(methylamino)propyl]-2-phenylsulfanylacetamide
CID 81479553
N-(2-ethylbutyl)-2-phenylsulfanylacetamide
CID 115612630
N-(4-hydroxy-2-methylbutyl)-2-phenylsulfanylacetamide
CID 66107710
N-[(2R)-2-hydroxypropyl]-2-(4-nitrophenyl)sulfanylacetamide
CID 83031881
N-(3-aminobutyl)-2-phenylsulfanylacetamide
CID 63253683
N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-2-phenylsulfanylacetamide
CID 124506824
N-(2-hydroxypropyl)-2-pyridin-2-ylsulfanylacetamide
CID 3260207
N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-2-phenylsulfanylacetamide
CID 86984968
N-[(2R)-1-hydroxypropan-2-yl]-2-phenylsulfanylacetamide
CID 79031593
2-phenylsulfanyl-N-prop-2-ynylacetamide
CID 78792428

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxypropyl]-2-phenylsulfanylacetamide?
The IUPAC name of N-[(2S)-2-hydroxypropyl]-2-phenylsulfanylacetamide (CID 83029625) is N-[(2S)-2-hydroxypropyl]-2-phenylsulfanylacetamide.
What is the SMILES notation for N-[(2S)-2-hydroxypropyl]-2-phenylsulfanylacetamide?
The canonical SMILES for N-[(2S)-2-hydroxypropyl]-2-phenylsulfanylacetamide is C[C@H](O)CNC(=O)CSc1ccccc1.
What is the InChIKey of N-[(2S)-2-hydroxypropyl]-2-phenylsulfanylacetamide?
The InChIKey is QAESLJCSTXSNQM-VIFPVBQESA-N. The full InChI is InChI=1S/C11H15NO2S/c1-9(13)7-12-11(14)8-15-10-5-3-2-4-6-10/h2-6,9,13H,7-8H2,1H3,(H,12,14)/t9-/m0/s1.
What are the key properties of N-[(2S)-2-hydroxypropyl]-2-phenylsulfanylacetamide?
N-[(2S)-2-hydroxypropyl]-2-phenylsulfanylacetamide has a molecular weight of 225.31 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxypropyl]-2-phenylsulfanylacetamide is sourced from PubChem (CID 83029625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).